[1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone

C15H22N4OS — CID 155799937

IUPAC[1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
SMILESCc1cncc(N2CCCC(C(=O)N3CCSCC3)C2)n1
InChIInChI=1S/C15H22N4OS/c1-12-9-16-10-14(17-12)19-4-2-3-13(11-19)15(20)18-5-7-21-8-6-18/h9-10,13H,2-8,11H2,1H3
InChIKeyLHCVQHODWDTSDX-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.58
Rot. Bonds2

About [1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone

[1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone (PubChem CID 155799937) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is [1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
PubChem CID155799937
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name[1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
SMILESCc1cncc(N2CCCC(C(=O)N3CCSCC3)C2)n1
InChIInChI=1S/C15H22N4OS/c1-12-9-16-10-14(17-12)19-4-2-3-13(11-19)15(20)18-5-7-21-8-6-18/h9-10,13H,2-8,11H2,1H3
InChIKeyLHCVQHODWDTSDX-UHFFFAOYSA-N
XLogP1.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800075
(3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde
CID 42555979
N-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]acetamide
CID 171327953
[(3R)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 95795097
ethane;methanol;2-methyl-6-pyrrolidin-1-ylpyrazine
CID 169251343
3-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]propanamide
CID 133469915
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800065
(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone
CID 163354584
2-(3-methoxypiperidin-1-yl)-6-methylpyrazine
CID 133470094
(3R)-1-(6-methylpyrazin-2-yl)pyrrolidin-3-ol
CID 129412688
(4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118558
[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 163343452

Frequently Asked Questions

What is the IUPAC name of [1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone (CID 155799937) is [1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone is Cc1cncc(N2CCCC(C(=O)N3CCSCC3)C2)n1.
What is the InChIKey of [1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is LHCVQHODWDTSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-12-9-16-10-14(17-12)19-4-2-3-13(11-19)15(20)18-5-7-21-8-6-18/h9-10,13H,2-8,11H2,1H3.
What are the key properties of [1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
[1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 306.43 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 155799937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).